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A review of recent progress in thermoelectric materials through computational methods

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10.1007/s40243-020-00175-5
 
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Gutiérrez Moreno, J. Julio
Cao, Jiang
Fronzi, Marco
Assadi, M. Hussein N.
Document typeArticle
Defense date2020
PublisherSpringer
Rights accessOpen Access
Attribution 3.0 Spain
Except where otherwise noted, content on this work is licensed under a Creative Commons license : Attribution 3.0 Spain
Abstract
Reducing our overwhelming dependence on fossil fuels requires groundbreaking innovations in increasing our efficiency in energy consumption for current technologies and moving towards renewable energy sources. Thermoelectric materials can help in achieving both goals. Moreover, because of recent advances in high-performance computing, researchers more increasingly rely on computational methods in discovering new thermoelectric materials with economically feasible performance. In this article, significant thermoelectric materials discovered through these computational methods are systematically reviewed. Furthermore, the primary computational tools that aid the design of the next-generation thermoelectric materials are introduced and discussed. These techniques include various levels of density functional theory, electronic transport simulations, and phonon calculations.
CitationGutiérrez Moreno, J.J. [et al.]. A review of recent progress in thermoelectric materials through computational methods. "Materials for Renewable and Sustainable Energy", 2020, vol. 9, 16. 
URIhttp://hdl.handle.net/2117/346572
DOI10.1007/s40243-020-00175-5
ISSN2194-1459
2194-1467
Publisher versionhttps://link.springer.com/article/10.1007/s40243-020-00175-5
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